4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol

C27H25N3O — CID 3766985

IUPAC4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol
SMILESOCCCCn1c(-c2ccccc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C27H25N3O/c31-19-11-10-18-29-24(21-12-4-1-5-13-21)20-30-26(23-16-8-3-9-17-23)25(28-27(29)30)22-14-6-2-7-15-22/h1-9,12-17,20,31H,10-11,18-19H2
InChIKeyVVIDNRFFRZCFEU-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.91
Rot. Bonds7

About 4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol

4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol (PubChem CID 3766985) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is 4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol
PubChem CID3766985
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol
SMILESOCCCCn1c(-c2ccccc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C27H25N3O/c31-19-11-10-18-29-24(21-12-4-1-5-13-21)20-30-26(23-16-8-3-9-17-23)25(28-27(29)30)22-14-6-2-7-15-22/h1-9,12-17,20,31H,10-11,18-19H2
InChIKeyVVIDNRFFRZCFEU-UHFFFAOYSA-N
XLogP5.91
TPSA42.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol?
The IUPAC name of 4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol (CID 3766985) is 4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol.
What is the SMILES notation for 4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol?
The canonical SMILES for 4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol is OCCCCn1c(-c2ccccc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol?
The InChIKey is VVIDNRFFRZCFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c31-19-11-10-18-29-24(21-12-4-1-5-13-21)20-30-26(23-16-8-3-9-17-23)25(28-27(29)30)22-14-6-2-7-15-22/h1-9,12-17,20,31H,10-11,18-19H2.
What are the key properties of 4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol?
4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol has a molecular weight of 407.52 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5,6-triphenylimidazo[1,2-a]imidazol-1-yl)butan-1-ol is sourced from PubChem (CID 3766985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).